Vitas-M small molecule compound
benzyl [(6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]acetate
Catalog ID
STK942137
SMILES O=C(OCc1ccccc1)COc1coc(cc1=O)CN1CCN(CC1)c1ccc(cc1)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H25FN2O5 MW 452.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN2O5/c26-20-6-8-21(9-7-20)28-12-10-27(11-13-28)15-22-14-23(29)24(17-31-22)32-18-25(30)33-16-19-4-2-1-3-5-19/h1-9,14,17H,10-13,15-16,18H2InChIKey
AIIISGRPGUWKRK-UHFFFAOYSA-NSynonyms
903339-26-4903339264
benzyl((6((4(4fluorophenyl)piperazin1yl)methyl)4oxo4Hpyran3yl)oxy)acetate
benzyl2((6((4(4fluorophenyl)piperazin1yl)methyl)4oxo4Hpyran3yl)oxy)acetate
benzyl2(6((4(4fluorophenyl)piperazin1yl)methyl)4oxopyran3yl)oxyacetate
C1CN(CCN1CC2=CC(=O)C(=CO2)OCC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)F
InChI=1SC25H25FN2O5c26206821(9720)28121027(111328)15221423(29)24(173122)321825(30)3316194213519h191417H1013151618H2
MFCD07713626
ZINC000057360856
ZINC57360856
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